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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

tesuract v.1.0

SAND2021-14370 O Tesuract (tensor surrogate approximation and computation) provides Python tools to build machine learning regressors that include polynomial chaos expansions. The software also offers methods for creation regressors for tensor outputs such as spatially varying fields and using a reduced order modeling methodology. The library is built on and compatible with the scikit-learn API, which allows integration with one of the most ubiquitous machine learning Python libraries out there. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Chowdhary, Kamaljit↗
DOE OSTI2024

khaos

An R implementation of a modified version of the sparse Bayesian polynomial chaos expansion algorithm of Shao et al., (2017).

Rumsey, Kellin↗
DOE OSTI2020

LA17-V-InverseRadTransportProblem-PD2Kb. Final Project Report

In the inverse radiation transport problem, a radiation signal emanating from an unknown object is used to reconstruct geometric and material parameters of the object , e.g., the mass of special nuclear material (SNM), the isotopic composition of the SNM (e.g., the enrichment of 235U), the thickness of shielding, etc. The inverse radiation transport problem is one of the most fundamental and important in the emergency response mission, and has been addressed in previous NA-22 and NA-42/84 investments by using derivative-free optimization methods. Our project was aimed at (i) consolidating previous work by applying polynomial chaos expansion (PCE) for reducing significantly the number of forward model simulations required by derivative-free optimization methods; (ii) developing a general-purpose framework and stand-alone software for solving the inverse radiation transport problem by applying a new “predictive modeling” methodology (predictive modeling of coupled multi-physics systems, PM_CMPS) which enables the fusing of experimental and computational information; and (iii) developing several benchmarks (for unscattered gamma rays) for demonstrating the quantification of non-Gaussian features (e.g., skewness and kurtosis, which characterize asymmetries and long tails) of response distributions by deterministically and efficiently propagating parameter uncertainties (covariances and higher-order moments, where available) using high-order sensitivities computed by the recently developed comprehensive adjoint sensitivity analysis methodology (C-ASAM). With regard to (i), application of PCE, the most significant accomplishment of this project was an implementation of PCE into INVERSE that significantly reduced computation time for the DiffeRential Evolution Adaptive Metropolis (DREAM) and Differential Evolution (DE) methods. For inverse transport problems with measurements of neutron leakage, neutron multiplication, and neutron-induced gamma-rays, the solution times for the DREAM and DE methods were reduced by factors of 30-300, reducing run times from hours to minutes while maintaining the same accuracy as the standard (non-PCE) DREAM and DE. Speedups were further improved by exploring sparse grid quadrature sets using the Toolkit for Adaptive Stochastic Modeling and Non-Intrusive ApproximatioN (Tasmanian) toolset. An initial exploration of sparse grids indicated that further speedups factors of 5-10 are obtainable. The implementation of PCE in INVERSE is not in a form that users can easily access. With regard to (ii), solving the inverse problem using a predictive modeling paradigm, the most significant accomplishment of this project were the derivation and implementation of adjoint-based second derivatives in neutron and photon transport theory. There are two codes that compute these derivatives. SENSPG computes them for uncollided gamma rays and SENSMG computes them for neutron leakage. SENSMG is open-source code available on github. Other significant accomplishments included a stand-alone code, MULTI-PRED, that implements the predictive modeling paradigm, along with a detailed manual. The code was implemented in the existing INVERSE code for inverse problems, but a head-to-head comparison of inverse methods was not achieved. We also derived and implemented the capability to compute sensitivities for multiplicity measurements into the SENSMG code, and this capability was used in a data assimilation application, but it was not used for solving inverse problems. With regard to (iii), developing benchmarks to demonstrate the importance of high-order sensitivity and uncertainty analysis, the most significant accomplishment of this project were two test problems that showed how important second-order sensitivities are.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2021

Comprehensive Material Characterization and Simultaneous Model Calibration for Improved Computational Simulation Credibility

Computational simulation is increasingly relied upon for high-consequence engineering decisions, and a foundational element to solid mechanics simulations is a credible material model. Our ultimate vision is to interlace material characterization and model calibration in a real-time feedback loop, where the current model calibration results will drive the experiment to load regimes that add the most useful information to reduce parameter uncertainty. The current work investigated one key step to this Interlaced Characterization and Calibration (ICC) paradigm, using a finite load-path tree to incorporate history/path dependency of nonlinear material models into a network of surrogate models that replace computationally-expensive finite-element analyses. Our reference simulation was an elastoplastic material point subject to biaxial deformation with a Hill anisotropic yield criterion. Training data was generated using either a space-filling or adaptive sampling method, and surrogates were built using either Gaussian process or polynomial chaos expansion methods. Surrogate error was evaluated to be on the order of 10 ⁻5 and 10 ⁻3 percent for the space-filling and adaptive sampling training data, respectively. Direct Bayesian inference was performed with the surrogate network and with the reference material point simulator, and results agreed to within 3 significant figures for the mean parameter values, with a reduction in computational cost over 5 orders of magnitude. These results bought down risk regarding the surrogate network and facilitated a successful FY22-24 full LDRD proposal to research and develop the complete ICC paradigm.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Risk Assessment and Management Workflow—An Example of the Southwest Regional Partnership

This paper summarizes the risk assessment and management workflow developed and applied to the Southwest Regional Partnership on Carbon Sequestration (SWP) Phase III Demonstration Project. The risk assessment and management workflow consists of six primary tasks, including management planning, identification, qualitative analysis, quantitative analysis, response planning, and monitoring. Within the workflow, the SWP assembled and iteratively updated a risk registry that identifies risks for all major activities of the project. Risk elements were ranked with respect to the potential impact to the project and the likelihood of occurrence. Both qualitative and quantitative risk analyses were performed. To graphically depict the interactions among risk elements and help building risk scenarios, process influence diagrams were used to represent the interactions. The SWP employed quantitative methods of risk analysis including Response Surface Method (RSM), Polynomial Chaos Expansion (PCE), and the National Risk Assessment Partnership (NRAP) toolset. The SWP also developed risk response planning and performed risk control and monitoring to prevent the risks from affecting the project and ensure the effectiveness of risk management. As part of risk control and monitoring, existing and new risks have been tracked and the response plan was subsequently evaluated. Findings and lessons learned from the SWP’s risk assessment and management efforts will provide valuable information for other commercial geological CO2 storage projects.

Lee, Si-Yong↗
DOE OSTI2022

Using a surrogate-assisted Bayesian framework to calibrate the runoff-generation scheme in the Energy Exascale Earth System Model (E3SM) v1

Abstract. Runoff is a critical component of the terrestrial water cycle, and Earth system models (ESMs) are essential tools to study its spatiotemporal variability. Runoff schemes in ESMs typically include many parameters so that model calibration is necessary to improve the accuracy of simulated runoff. However, runoff calibration at a global scale is challenging because of the high computational cost and the lack of reliable observational datasets. In this study, we calibrated 11 runoff relevant parameters in the Energy Exascale Earth System Model (E3SM) Land Model (ELM) using a surrogate-assisted Bayesian framework. First, the polynomial chaos expansion machinery with Bayesian compressed sensing is used to construct computationally inexpensive surrogate models for ELM-simulated runoff at 0.5∘ × 0.5∘ for 1991–2010. The error metric between the ELM simulations and the benchmark data is selected to construct the surrogates, which facilitates efficient calibration and avoids the more conventional, but challenging, construction of high-dimensional surrogates for the ELM simulated runoff. Second, the Sobol' index sensitivity analysis is performed using the surrogate models to identify the most sensitive parameters, and our results show that, in most regions, ELM-simulated runoff is strongly sensitive to 3 of the 11 uncertain parameters. Third, a Bayesian method is used to infer the optimal values of the most sensitive parameters using an observation-based global runoff dataset as the benchmark. Our results show that model performance is significantly improved with the inferred parameter values. Although the parametric uncertainty of simulated runoff is reduced after the parameter inference, it remains comparable to the multimodel ensemble uncertainty represented by the global hydrological models in ISMIP2a. Additionally, the annual global runoff trend during the simulation period is not well constrained by the inferred parameter values, suggesting the importance of including parametric uncertainty in future runoff projections.

58 GEOSCIENCES↗
DOE OSTI2021

Scattering of radio frequency waves by randomly modulated density interfaces in the edge of fusion plasmas

In the scrape-off layer and the edge region of a tokamak, the plasma is strongly turbulent and scatters the radio frequency (RF) electromagnetic waves that propagate through this region. It is important to know, whether used for diagnostics or for heating and current drive, the spectral properties of these scattered RF waves. The spectral changes influences the interpretation of the diagnostic-data obtained and the current and heating profiles. A full-wave, 3D electromagnetic code ScaRF (see Papadopoulos et al. 2019) has been developed for studying the RF wave propagation through turbulent plasma. ScaRF is a finite-difference frequency-domain (FDFD) method for solving Maxwell's equations. The magnetized plasma is defined through the cold plasma, anisotropic permittivity tensor. As a result, ScaRF can be used to study the scattering of any cold plasma RF wave. It can be for the study of scattering of electron cyclotron waves in ITER-type and medium-sized tokamaks such as TCV, ASDEX-U, DIII-D. For the case of medium-sized tokamaks, there's experimental evidence that drift waves and rippling modes are present in the edge region (see Ritz et al. 1984). Hence, we study the scattering of RF waves by periodic density interfaces (plasma gratings) in the form of a superposition of spatial modes with varying periodicity and random amplitudes (see Papadopoulos et al. 2019). The power reflection coefficient (a random variable) is calculated for different realizations of the density interface. In this work, the uncertainty of the power reflection coefficient is rigorously quantified by use of the Polynomial Chaos Expansion (see Xiu & Karniadakis 2002) method in conjunction with the Smolyak sparse grid integration (see Papadopoulos et al. 2018) (PCE-SG). The PCE-SG method is proven accurate and much more efficient (roughly 2-orders of magnitude shorter execution time) compared to alternative methods such as the Monte Carlo (MC) approach.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS2017

Aeroelastic Uncertainty Quantification Studies Using the S4T Wind Tunnel Model

This paper originates from the joint efforts of an aeroelastic study team in the Applied Vehicle Technology Panel from NATO Science and Technology Organization, with the Task Group number AVT-191, titled "Application of Sensitivity Analysis and Uncertainty Quantification to Military Vehicle Design." We present aeroelastic uncertainty quantification studies using the SemiSpan Supersonic Transport wind tunnel model at the NASA Langley Research Center. The aeroelastic study team decided treat both structural and aerodynamic input parameters as uncertain and represent them as samples drawn from statistical distributions, propagating them through aeroelastic analysis frameworks. Uncertainty quantification processes require many function evaluations to asses the impact of variations in numerous parameters on the vehicle characteristics, rapidly increasing the computational time requirement relative to that required to assess a system deterministically. The increased computational time is particularly prohibitive if high-fidelity analyses are employed. As a remedy, the Istanbul Technical University team employed an Euler solver in an aeroelastic analysis framework, and implemented reduced order modeling with Polynomial Chaos Expansion and Proper Orthogonal Decomposition to perform the uncertainty propagation. The NASA team chose to reduce the prohibitive computational time by employing linear solution processes. The NASA team also focused on determining input sample distributions.

Nikbay, Melike↗
NASA NTRS2017

Sensitivity Analysis and Uncertainty Quantification of a Mars Ascent Vehicle Concept

The design of a conceptual Mars ascent vehicle is a challenging problem. In order to aid the vehicle and mission concept design it is important to understand the driving design parameters and the expected performance in the presence of model errors and uncertainties. An existing six degree of freedom simulation model is analyzed on a statistical basis using the methods available in the Design Analysis Kit for Optimization and Terascale Applications toolkit. The methods utilized include conventional Monte Carlo techniques, metamodeling via polynomial chaos expansions, and global variance-based sensitivity analyses. Two additional analysis methods referred to as “Monte Carlo filtering” and ”Classification trees” are used to determine which uncertain parameters are driving the performance of the vehicle. Monte Carlo filtering provides a methodology to determine which parameters cause qualitatively different behavior while the classification trees use heuristics to partition the input space and assign probabilities to each partition. These methods serve as qualitative descriptors of model sensitivity while variance-based global sensitivity analysis seeks a quantitative mapping from total output variance to the variance of individual inputs. Application of these techniques to several outputs of a Mars ascent vehicle concept simulation indicates that only a select few input factors dominate their variance.

Noyes, Connor↗
NASA NTRSDate not supplied

Uncertainty Quantification Methodology for Sonic Boom Loudness of a Low-Boom Supersonic Concept

This paper presents a comprehensive analysis of uncertainty quantification for sonic boom loudness metrics associated with the X-59 aircraft during its acoustic validation phase. The study focuses on employing advanced methodologies to characterize uncertainties in key sonic boom parameters predicted from a database derived from a computational fluid dynamics (CFD) solver. These methodologies include creating a polynomial chaos expansion (PCE) surrogate model, which is then used to run a Monte Carlo analysis to obtain 95% uncertainty intervals for sonic boom loudness parameters across the full carpet. Atmospheric uncertainties are rigorously considered, leveraging weather models based on historical data near Edwards Air Force Base to simulate potential flight conditions. The findings include preliminary uncertainty results for the full carpet during the validation phase of the Quesst mission. Additionally, a sensitivity study reveals that the primary sources of uncertainty are humidity and cruise weight.

Laura M. White↗
DOE OSTI2022

3D spherical functional expansion tallies in Serpent 2 Monte Carlo code

This work extends the application of functional expansion tallies to 3D spherical geometries. The 3D Zernike polynomials are set as an orthonormal polynomials basis for the functional reconstruction. The study describes the construction of the complete set of polynomials, a natural expansion of the spherical harmonics polynomials where 3D Zernike moments can be evaluated as a linear combination of the geometrical moments. The 3D Zernike polynomials formulation and the computational approach implemented in Serpent 2 are presented and tested through the Godiva model from the ICSBEP criticality benchmark test cases. The implementation results are in agreement with a reference solution described in a fine-resolution mesh, enhancing also the performance and memory demand. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRS1985

Temperature dependence of gamma-gamma prime lattice mismatch in nickel-base superalloys

High temperature X-ray diffraction techniques were used to determine the gamma-gamma prime lattice mismatch of three different nickel-base superalloys at temperatures between 18 and 1000 C. The measurements were performed on oriented single-crystal disks which had been aged to produce a semicoherent gamma-gamma prime structure. The thermal expansion of the lattice parameters of the gamma and gamma-prime phases was described by a second-order polynomial expression. The expansion of the gamma-prime phase was consistently smaller than that of the gamma phase, which caused the lattice mismatch to become more negative at higher temperatures. It was also shown that high values of lattice mismatch resulted in increased rates of directional gamma-prime coarsening during elevated temperature creep exposure.

Nathal, M. V.↗
NASA NTRS1993

Nonlinear aerodynamic modeling using multivariate orthogonal functions

A technique was developed for global modeling of nonlinear aerodynamic coefficients using multivariate orthogonal functions based on the data. Each orthogonal function retained in the model was decomposed into an expansion of ordinary polynomials in the independent variables, so that the final model could be interpreted as selectively retained terms from a multivariable power series expansion. A predicted squared-error metric was used to determine the orthogonal functions to be retained in the model; analytical derivatives were easily computed. The approach was demonstrated on the Z-body axis aerodynamic force coefficient (Cz) wind tunnel data for an F-18 research vehicle which came from a tabular wind tunnel and covered the entire subsonic flight envelope. For a realistic case, the analytical model predicted experimental values of Cz very well. The modeling technique is shown to be capable of generating a compact, global analytical representation of nonlinear aerodynamics. The polynomial model has good predictive capability, global validity, and analytical differentiability.

Morelli, Eugene A.↗
DOE OSTI2025

High-temperature stability and thermal expansion behavior of equi-atomic refractory multi-principal element alloys based on MoNbTi system for Gen IV reactor applications

The present study investigates the thermal stability and thermal expansion behavior of seven equi-atomic refractory multi-principal element alloys (MPEAs) based on the MoNbTi ternary system composed of low neutron absorption cross section elements. Through an integrated approach utilizing in-situ high-temperature X-ray diffraction (HT-XRD) in conjunction with differential scanning calorimetry (DSC), dilatometry and ageing heat treatment, the thermal stability of the MPEAs was comprehensively analyzed. In-situ HT-XRD experiment confirmed the stability of the room temperature phases up to 1000 °C with no peaks observed corresponding to additional phases in the HT-XRD patterns at 500, 800 and 1100 °C. DSC thermograms showed the absence of peaks up to 1000 °C, while peaks and valleys corresponding to exothermic and endothermic events were observed above 1000 °C. Coefficient of thermal expansion (CTE) derived from second order polynomial fitting of linear thermal expansion data from the dilatometry experiment showed linear increment up to 1000 °C for all the alloys except those containing Zr. The Cr containing alloys exhibited notably higher CTE values, particularly the Al containing alloy exhibited the highest value. Ageing heat treatment at 800 and 1000 °C for 96 h and subsequent microstructural analysis revealed significant precipitation of secondary phases in MoNbTiZr, MoNbTiZrV and MoNbTiCrAl. In conclusion, a substantial increase in hardness was observed in MoNbTiZr and MoNbTiCrAl due to secondary phase precipitation, while the other alloys maintained hardness values comparable to their as-cast and homogenized states.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS1987

Simultaneous stochastic inversion for geomagnetic main field and secular variation. I - A large-scale inverse problem

The method of stochastic inversion is extended to the simultaneous inversion of both main field and secular variation. In the present method, the time dependency is represented by an expansion in Legendre polynomials, resulting in a simple diagonal form for the a priori covariance matrix. The efficient preconditioned Broyden-Fletcher-Goldfarb-Shanno algorithm is used to solve the large system of equations resulting from expansion of the field spatially to spherical harmonic degree 14 and temporally to degree 8. Application of the method to observatory data spanning the 1900-1980 period results in a data fit of better than 30 nT, while providing temporally and spatially smoothly varying models of the magnetic field at the core-mantle boundary.

Bloxham, Jeremy↗